4-[(3E)-penta-1,3-dien-3-yl]-5-phenyl-1,3-dioxolan-2-one

C14H14O3 — CID 144583665

IUPAC4-[(3E)-penta-1,3-dien-3-yl]-5-phenyl-1,3-dioxolan-2-one
SMILESC=C/C(=C\C)C1OC(=O)OC1c1ccccc1
InChIInChI=1S/C14H14O3/c1-3-10(4-2)12-13(17-14(15)16-12)11-8-6-5-7-9-11/h3-9,12-13H,1H2,2H3/b10-4+
InChIKeyMGEOQRFVMGSTJR-ONNFQVAWSA-N
MW230.26 g/mol
LogP3.40
Rot. Bonds3

About 4-[(3E)-penta-1,3-dien-3-yl]-5-phenyl-1,3-dioxolan-2-one

4-[(3E)-penta-1,3-dien-3-yl]-5-phenyl-1,3-dioxolan-2-one (PubChem CID 144583665) has the molecular formula C14H14O3 and a molecular weight of 230.26 g/mol. Its IUPAC name is 4-[(3E)-penta-1,3-dien-3-yl]-5-phenyl-1,3-dioxolan-2-one.

Molecular Properties

Compound Name4-[(3E)-penta-1,3-dien-3-yl]-5-phenyl-1,3-dioxolan-2-one
PubChem CID144583665
Molecular FormulaC14H14O3
Molecular Weight230.26 g/mol
Exact Mass230.09
IUPAC Name4-[(3E)-penta-1,3-dien-3-yl]-5-phenyl-1,3-dioxolan-2-one
SMILESC=C/C(=C\C)C1OC(=O)OC1c1ccccc1
InChIInChI=1S/C14H14O3/c1-3-10(4-2)12-13(17-14(15)16-12)11-8-6-5-7-9-11/h3-9,12-13H,1H2,2H3/b10-4+
InChIKeyMGEOQRFVMGSTJR-ONNFQVAWSA-N
XLogP3.40
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.26
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

ethyl (4R,5S)-2-oxo-5-phenyl-1,3-dioxolane-4-carboxylate
CID 124672191
(4R,5R)-4-(4-methylphenyl)-5-phenyl-1,3-dioxolan-2-one
CID 177461861
(4R,5S)-4-methyl-5-phenyl-3-prop-2-enoyl-1,3-oxazolidin-2-one
CID 10944289
4-benzoyl-5-(4-methoxyphenyl)-1,3-dioxolan-2-one
CID 152983989
(4R,5R)-4-phenyl-5-(trifluoromethyl)-1,3-dioxolan-2-one
CID 11020742
(4R,5S)-4-benzoyl-5-(3,4-dimethylphenyl)-1,3-dioxolan-2-one
CID 53243739
(2S,3S)-3-phenyloxirane-2-carboxylic acid
CID 906621
(4S,5S)-2-oxo-1,3-dioxolane-4,5-dicarboxylic acid
CID 102101581
(4S,5R)-3-[(Z)-1-hydroxyprop-1-enyl]-4-methyl-5-phenyl-1,3-oxazolidin-2-one
CID 132917281
sodium 2-phenyl-2,3-dihydro-1,4-benzodioxine-3-carboxylate
CID 23688231
1,4-diphenyl-1,3a,4,6a-tetrahydrofuro[3,4-c]furan-3,6-dione
CID 13310359
potassium 3-phenyloxirane-2-carboxylic acid
CID 54603648

Frequently Asked Questions

What is the IUPAC name of 4-[(3E)-penta-1,3-dien-3-yl]-5-phenyl-1,3-dioxolan-2-one?
The IUPAC name of 4-[(3E)-penta-1,3-dien-3-yl]-5-phenyl-1,3-dioxolan-2-one (CID 144583665) is 4-[(3E)-penta-1,3-dien-3-yl]-5-phenyl-1,3-dioxolan-2-one.
What is the SMILES notation for 4-[(3E)-penta-1,3-dien-3-yl]-5-phenyl-1,3-dioxolan-2-one?
The canonical SMILES for 4-[(3E)-penta-1,3-dien-3-yl]-5-phenyl-1,3-dioxolan-2-one is C=C/C(=C\C)C1OC(=O)OC1c1ccccc1.
What is the InChIKey of 4-[(3E)-penta-1,3-dien-3-yl]-5-phenyl-1,3-dioxolan-2-one?
The InChIKey is MGEOQRFVMGSTJR-ONNFQVAWSA-N. The full InChI is InChI=1S/C14H14O3/c1-3-10(4-2)12-13(17-14(15)16-12)11-8-6-5-7-9-11/h3-9,12-13H,1H2,2H3/b10-4+.
What are the key properties of 4-[(3E)-penta-1,3-dien-3-yl]-5-phenyl-1,3-dioxolan-2-one?
4-[(3E)-penta-1,3-dien-3-yl]-5-phenyl-1,3-dioxolan-2-one has a molecular weight of 230.26 g/mol, XLogP of 3.40, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3E)-penta-1,3-dien-3-yl]-5-phenyl-1,3-dioxolan-2-one is sourced from PubChem (CID 144583665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).